============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 2.520 2.511 6.155 -99.200 -91.000 TYR 21 0.840 6.768 2.024 17.272 -99.200 -91.000 PHE 35 1.000 14.415 0.370 14.541 -99.200 -91.000 PHE 41 1.000 15.488 -0.150 24.388 -99.200 -91.000 PHE 47 1.000 8.768 1.035 39.563 -99.200 -91.000 HIS 71 0.900 -0.356 7.381 59.518 -99.200 -91.000 TYR 72 0.840 4.686 9.496 53.836 -99.200 -91.000 TYR 80 0.840 9.175 15.111 40.825 -99.200 -91.000 HIS 87 0.900 -0.439 14.709 51.124 -99.200 -91.000 PHE 126 1.000 0.967 -8.729 39.171 -99.200 -91.000 HIS 128 0.900 8.346 -16.623 35.524 -99.200 -91.000 HIS 133 0.900 7.565 -16.802 31.956 -99.200 -91.000 TRP 140 1.040 13.628 -1.490 47.164 -99.200 -91.000 TRP6 140 1.020 11.637 -1.522 48.415 -99.200 -91.000 TRP 185 1.040 -4.998 5.872 40.129 -99.200 -91.000 TRP6 185 1.020 -4.805 3.733 41.124 -99.200 -91.000 TRP 204 1.040 -7.852 10.016 17.819 -99.200 -91.000 TRP6 204 1.020 -6.443 8.281 17.031 -99.200 -91.000 PHE 205 1.000 -8.539 5.569 26.891 -99.200 -91.000 TYR 237 0.840 10.524 1.163 27.800 -99.200 -91.000 HIS 262 0.900 1.708 6.712 7.398 -99.200 -91.000 TRP 263 1.040 -5.519 4.315 14.517 -99.200 -91.000 TRP6 263 1.020 -4.208 4.106 16.476 -99.200 -91.000